General Information of the Compound
| Compound ID |
CP0398519
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| Compound Name |
(1R,2S)-2-[(4-methoxyphenoxy)methyl]-2-phenyl-N-pyridin-2-ylcyclopropane-1-carboxamide
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| Structure |
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| Formula |
C23H22N2O3
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| Molecular Weight |
374.44
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| Canonical SMILES |
COc1ccc(OC[C@]2(C[C@H]2C(=O)Nc2ccccn2)c2ccccc2)cc1
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| InChI |
InChI=1S/C23H22N2O3/c1-27-18-10-12-19(13-11-18)28-16-23(17-7-3-2-4-8-17)15-20(23)22(26)25-21-9-5-6-14-24-21/h2-14,20H,15-16H2,1H3,(H,24,25,26)/t20-,23+/m0/s1
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| InChIKey |
ZMDBQSBHZXOCQT-NZQKXSOJSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01132, Orexin receptor type 2
Protein ID: PT02001, Orexin/Hypocretin receptor type 1